1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazin-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-(10-methoxy-6-benzo[b][1,4]benzoxazepinyl)-2-methyl-1-piperazinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methylpiperazin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(10-methoxybenzo[b][1,4]benzoxazepin-6-yl)-2-methyl-piperazino]-2-(2-thienyl)ethanone Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC2=CC=CS2)C3=NC4=CC=CC=C4OC5=C3C=CC=C5OC

Isomeric SMILES

CC1CN(CCN1C(=O)CC2=CC=CS2)C3=NC4=CC=CC=C4OC5=C3C=CC=C5OC

InChI

InChI=1S/C25H25N3O3S/c1-17-16-27(12-13-28(17)23(29)15-18-7-6-14-32-18)25-19-8-5-11-22(30-2)24(19)31-21-10-4-3-9-20(21)26-25/h3-11,14,17H,12-13,15-16H2,1-2H3